[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

C20H18N2O5 — CID 8639256

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
SMILESCc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)oc2c1ccc1ccccc12
InChIInChI=1S/C20H18N2O5/c1-11-14-8-7-13-5-3-4-6-15(13)17(14)27-16(11)19(24)26-12(2)18(23)22-10-9-21-20(22)25/h3-8,12H,9-10H2,1-2H3,(H,21,25)/t12-/m0/s1
InChIKeyKQKYKJFCVRHFBK-LBPRGKRZSA-N
MW366.37 g/mol
LogP2.99
Rot. Bonds3

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate (PubChem CID 8639256) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
PubChem CID8639256
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
SMILESCc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)oc2c1ccc1ccccc12
InChIInChI=1S/C20H18N2O5/c1-11-14-8-7-13-5-3-4-6-15(13)17(14)27-16(11)19(24)26-12(2)18(23)22-10-9-21-20(22)25/h3-8,12H,9-10H2,1-2H3,(H,21,25)/t12-/m0/s1
InChIKeyKQKYKJFCVRHFBK-LBPRGKRZSA-N
XLogP2.99
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3H-benzo[e]indole-2-carboxylate
CID 38624577
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] quinoline-2-carboxylate
CID 18090773
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639379
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8848939
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639358
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639296
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 17396566
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 41078521
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate (CID 8639256) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate is Cc1c(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)oc2c1ccc1ccccc12.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The InChIKey is KQKYKJFCVRHFBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-11-14-8-7-13-5-3-4-6-15(13)17(14)27-16(11)19(24)26-12(2)18(23)22-10-9-21-20(22)25/h3-8,12H,9-10H2,1-2H3,(H,21,25)/t12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate is sourced from PubChem (CID 8639256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).